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DocumentationIdentifier: MM240848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240848 |
| SMILES |
C#CC(C)(O)CC#CCC
|
| InChIKey |
VSDSIQRBUVTRQJ-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138699
Similarity: 0.8901
Similarity to MM138699
| Tanimoto metric | 0.8901 |
|---|---|
| Cosine metric | 0.9435 |
| Dice metric | 0.9419 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60825
Similarity: 0.8218
Similarity to MM60825
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.9022 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310475
Similarity: 0.7788
Similarity to MM310475
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8757 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
